SCHEMBL7609925

SCHEMBL7609925

COc1ccc(C(CCNC[C@H](O)COc2ccc(O)c(CNS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.56
ABCB1 P08183 6/20 0.48
MEN1 O00255 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6324370 0.86 ADRB3 (0.75) ADRB3ADRB2ADRB1
SCHEMBL7610557 0.85 ADRB3 (0.74) ADRB3ABCB1MEN1OPRM1OPRD1
SCHEMBL6326499 0.80 ADRB3 (0.73) ADRB3ADRB2ADRB1
SCHEMBL7768578 0.80 ADRB3 (0.65) ADRB3ABCB1MEN1OPRM1OPRD1
SCHEMBL7609817 0.80 ADRB3 (0.61) ADRB3ABCB1MEN1OPRM1OPRD1
SCHEMBL7607621 0.79 ADRB2 (0.68) ADRB3MEN1OPRM1OPRD1KMT2A
SCHEMBL7614540 0.79 ADRB3 (0.57) ADRB3ABCB1MEN1OPRM1OPRD1
SCHEMBL7607740 0.79 ADRB3 (0.57) ADRB3ABCB1MEN1OPRM1OPRD1
SCHEMBL7609934 0.79 ADRB3 (0.43) ADRB3KMT2AADRB2ADRB1
SCHEMBL7605251 0.78 ADRB3 (0.59) ADRB3MEN1KMT2AADRB2ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed